Information card for entry 2016740

Structure parameters

• Chemical name: [(8a,9,9a-η)-9-(η^5^-Cyclopentadienyl)-9-nickelafluorenyl](η^5^- pentamethylcyclopentadienyl)nickel(II)
• Formula: C27 H28 Ni2
• Calculated formula: C27 H28 Ni2
• SMILES: [Ni]12345678([Ni]9%10%11%12%13([c]%146cccc[c]5%14[c]57cccc[c]895)[cH]5[cH]%10[cH]%11[cH]%12[cH]%135)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: [(8a,9,9a-η)-9-(η^5^-Cyclopentadienyl)-9-nickelafluorenyl](η^5^-pentamethylcyclopentadienyl)nickel(II)
• Authors of publication: Buchalski, Piotr; Koziol, Andrzej; Suwinska, Kinga
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m274 - m276
• a: 7.8022 ± 0.0002 Å
• b: 9.3335 ± 0.0003 Å
• c: 15.2091 ± 0.0006 Å
• α: 84.677 ± 0.002°
• β: 84.953 ± 0.002°
• γ: 78.244 ± 0.002°
• Cell volume: 1076.93 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes